3-[cyclopropyl(phenyl)methyl]-1-oxa-8-azaspiro[4.5]decane-2,4-dione

C18H21NO3 — CID 54140453

IUPAC3-[cyclopropyl(phenyl)methyl]-1-oxa-8-azaspiro[4.5]decane-2,4-dione
SMILESO=C1OC2(CCNCC2)C(=O)C1C(c1ccccc1)C1CC1
InChIInChI=1S/C18H21NO3/c20-16-15(17(21)22-18(16)8-10-19-11-9-18)14(13-6-7-13)12-4-2-1-3-5-12/h1-5,13-15,19H,6-11H2
InChIKeyOASJVXXPMFNPKX-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.04
Rot. Bonds3

About 3-[cyclopropyl(phenyl)methyl]-1-oxa-8-azaspiro[4.5]decane-2,4-dione

3-[cyclopropyl(phenyl)methyl]-1-oxa-8-azaspiro[4.5]decane-2,4-dione (PubChem CID 54140453) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 3-[cyclopropyl(phenyl)methyl]-1-oxa-8-azaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[cyclopropyl(phenyl)methyl]-1-oxa-8-azaspiro[4.5]decane-2,4-dione
PubChem CID54140453
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name3-[cyclopropyl(phenyl)methyl]-1-oxa-8-azaspiro[4.5]decane-2,4-dione
SMILESO=C1OC2(CCNCC2)C(=O)C1C(c1ccccc1)C1CC1
InChIInChI=1S/C18H21NO3/c20-16-15(17(21)22-18(16)8-10-19-11-9-18)14(13-6-7-13)12-4-2-1-3-5-12/h1-5,13-15,19H,6-11H2
InChIKeyOASJVXXPMFNPKX-UHFFFAOYSA-N
XLogP2.04
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 3-[cyclopropyl(phenyl)methyl]-1-oxa-8-azaspiro[4.5]decane-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-oxo-N-(2-phenylethyl)-1-oxaspiro[4.5]decane-4-carboxamide
CID 2921916
3-[(4-Fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-one
CID 58044728
(3R)-3-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-one
CID 124636260
(3S)-3-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-one
CID 124636261
4-Phenyl-1-oxa-8-azaspiro[4.5]decan-2-one
CID 12832707
3-[Cyclopropyl(phenyl)methyl]-2,4-dioxo-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid
CID 53728148
Tert-butyl 3-[cyclopropyl(phenyl)methyl]-2,4-dioxo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 54199610
Tert-butyl 2-oxo-2-(4-phenylpiperidin-4-yl)acetate
CID 69707863
Tert-butyl 1-phenyl-3-azabicyclo[3.1.0]hexane-6-carboxylate
CID 69723911
(5S)-5-(2-phenylethyl)-3-(piperidine-2-carbonyl)oxolane-2,4-dione
CID 90752221
(5R)-5-(2-phenylethyl)-3-[(2S)-piperidine-2-carbonyl]oxolane-2,4-dione
CID 91266483
Tert-butyl 1-(6-azaspiro[2.5]octan-2-yl)-3-methyl-4-phenylcyclohexa-2,5-diene-1-carboxylate
CID 146471113

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(phenyl)methyl]-1-oxa-8-azaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[cyclopropyl(phenyl)methyl]-1-oxa-8-azaspiro[4.5]decane-2,4-dione (CID 54140453) is 3-[cyclopropyl(phenyl)methyl]-1-oxa-8-azaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[cyclopropyl(phenyl)methyl]-1-oxa-8-azaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[cyclopropyl(phenyl)methyl]-1-oxa-8-azaspiro[4.5]decane-2,4-dione is O=C1OC2(CCNCC2)C(=O)C1C(c1ccccc1)C1CC1.
What is the InChIKey of 3-[cyclopropyl(phenyl)methyl]-1-oxa-8-azaspiro[4.5]decane-2,4-dione?
The InChIKey is OASJVXXPMFNPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c20-16-15(17(21)22-18(16)8-10-19-11-9-18)14(13-6-7-13)12-4-2-1-3-5-12/h1-5,13-15,19H,6-11H2.
What are the key properties of 3-[cyclopropyl(phenyl)methyl]-1-oxa-8-azaspiro[4.5]decane-2,4-dione?
3-[cyclopropyl(phenyl)methyl]-1-oxa-8-azaspiro[4.5]decane-2,4-dione has a molecular weight of 299.37 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(phenyl)methyl]-1-oxa-8-azaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 54140453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).